tert-butyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetate
Chemical Structure Depiction of
tert-butyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetate
tert-butyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-1289 |
| Compound Name: | tert-butyl [(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetate |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C18 H19 Cl O5 |
| Smiles: | CC(C)(C)OC(COc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1297 |
| logD: | 4.1297 |
| logSw: | -4.4559 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.301 |
| InChI Key: | ILDGOWJLTKFEEL-UHFFFAOYSA-N |